Search results for "monte-carlo algorithm"
showing 2 items of 2 documents
Genomic determinants of protein folding thermodynamics in prokaryotic organisms.
2004
Here we investigate how thermodynamic properties of orthologous proteins are influenced by the genomic environment in which they evolve. We performed a comparative computational study of 21 protein families in 73 prokaryotic species and obtained the following main results. (i) Protein stability with respect to the unfolded state and with respect to misfolding are anticorrelated. There appears to be a trade-off between these two properties, which cannot be optimized simultaneously. (ii) Folding thermodynamic parameters are strongly correlated with two genomic features, genome size and G+C composition. In particular, the normalized energy gap, an indicator of folding efficiency in statistical…
Dynamical twisted mass fermions with light quarks
2007
We present results of dynamical simulations with 2 flavours of degenerate Wilson twisted mass quarks at maximal twist in the range of pseudo scalar masses from 300 to 550 MeV. The simulations are performed at one value of the lattice spacing a \lesssim 0.1 fm. In order to have O(a) improvement and aiming at small residual cutoff effects, the theory is tuned to maximal twist by requiring the vanishing of the untwisted quark mass. Precise results for the pseudo scalar decay constant and the pseudo scalar mass are confronted with chiral perturbation theory predictions and the low energy constants F, \bar{l}_3 and \bar{l}_4 are evaluated with small statistical errors.